General Information of the Compound
| Compound ID |
CP0479626
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| Compound Name |
5-(benzhydrylsulfinylmethyl)-4-propan-2-ylthiadiazole
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| Structure |
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| Formula |
C19H20N2OS2
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| Molecular Weight |
356.516
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| Canonical SMILES |
CC(C)c1nnsc1C[S+]([O-])C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C19H20N2OS2/c1-14(2)18-17(23-21-20-18)13-24(22)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,13H2,1-2H3
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| InChIKey |
OVBMSRHWMYFNGO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter